UCSF

ZINC02459661

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2005 23 Yes

Other Names:

MFCD06589952

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.86 10.66 -10 0 3 0 27 308.425 5
Lo Low (pH 4.5-6) 4.86 11.39 -26.45 1 3 1 28 309.433 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )